Glycoside
GD144913
Name:
3-{10,13-dihydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl}-1-(3,3-dimethyloxiran-2-yl)butyl acetateFormula:
C37H58O11Smiles:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3C(O)CC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12C)C1OC1(C)CAglycone:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 175.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD58195
Formula: C32H50O7
Smiles:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)C| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
